ethyl 2-[(2-aminoacetyl)amino]-4-pyrazol-1-ylbenzoate

C14H16N4O3 — CID 67747442

IUPACethyl 2-[(2-aminoacetyl)amino]-4-pyrazol-1-ylbenzoate
SMILESCCOC(=O)c1ccc(-n2cccn2)cc1NC(=O)CN
InChIInChI=1S/C14H16N4O3/c1-2-21-14(20)11-5-4-10(18-7-3-6-16-18)8-12(11)17-13(19)9-15/h3-8H,2,9,15H2,1H3,(H,17,19)
InChIKeyZAUBORXTFIXDKZ-UHFFFAOYSA-N
MW288.31 g/mol
LogP0.95
Rot. Bonds5

About ethyl 2-[(2-aminoacetyl)amino]-4-pyrazol-1-ylbenzoate

ethyl 2-[(2-aminoacetyl)amino]-4-pyrazol-1-ylbenzoate (PubChem CID 67747442) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is ethyl 2-[(2-aminoacetyl)amino]-4-pyrazol-1-ylbenzoate.

Molecular Properties

Compound Nameethyl 2-[(2-aminoacetyl)amino]-4-pyrazol-1-ylbenzoate
PubChem CID67747442
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC Nameethyl 2-[(2-aminoacetyl)amino]-4-pyrazol-1-ylbenzoate
SMILESCCOC(=O)c1ccc(-n2cccn2)cc1NC(=O)CN
InChIInChI=1S/C14H16N4O3/c1-2-21-14(20)11-5-4-10(18-7-3-6-16-18)8-12(11)17-13(19)9-15/h3-8H,2,9,15H2,1H3,(H,17,19)
InChIKeyZAUBORXTFIXDKZ-UHFFFAOYSA-N
XLogP0.95
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[(2Z)-2-(2-amino-1-cyano-2-iminoethylidene)hydrazinyl]-4-pyrazol-1-ylbenzoate
CID 172978476
ethyl 4-(2-hydroxy-4-pyrazol-1-ylphenyl)-2,4-dioxobutanoate
CID 126484801
ethyl 2-amino-3-methyl-5-pyrazol-1-ylbenzoate
CID 103415274
ethyl N-(3-pyrazol-1-ylphenyl)carbamate
CID 61061847
ethyl 2-[[(cyanoamino)-methylsulfanylmethylidene]amino]-4-pyrazol-1-ylbenzoate
CID 169362939
N-aminohydroxylamine;ethyl 4-pyrazol-1-ylbenzoate;4-pyrazol-1-ylbenzohydrazide
CID 157086437
ethyl 2,4-dimethyl-5-[(3-pyrazol-1-ylphenyl)carbamoyl]-1H-pyrrole-3-carboxylate
CID 55766227
ethyl 2-[[2-(2,6-dimethylpyrimidin-4-yl)sulfanylacetyl]amino]benzoate
CID 23611290
2-methyl-5-pyrazol-1-ylbenzamide
CID 68604626
ethyl 4-[[methyl-(4-pyrazol-1-ylphenyl)carbamoyl]amino]benzoate
CID 165368602
ethyl 2-(propanoylamino)benzoate
CID 4190428
ethyl 2-[3-(2,4-dioxopyrimidin-1-yl)propanoylamino]benzoate
CID 108788630

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-aminoacetyl)amino]-4-pyrazol-1-ylbenzoate?
The IUPAC name of ethyl 2-[(2-aminoacetyl)amino]-4-pyrazol-1-ylbenzoate (CID 67747442) is ethyl 2-[(2-aminoacetyl)amino]-4-pyrazol-1-ylbenzoate.
What is the SMILES notation for ethyl 2-[(2-aminoacetyl)amino]-4-pyrazol-1-ylbenzoate?
The canonical SMILES for ethyl 2-[(2-aminoacetyl)amino]-4-pyrazol-1-ylbenzoate is CCOC(=O)c1ccc(-n2cccn2)cc1NC(=O)CN.
What is the InChIKey of ethyl 2-[(2-aminoacetyl)amino]-4-pyrazol-1-ylbenzoate?
The InChIKey is ZAUBORXTFIXDKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c1-2-21-14(20)11-5-4-10(18-7-3-6-16-18)8-12(11)17-13(19)9-15/h3-8H,2,9,15H2,1H3,(H,17,19).
What are the key properties of ethyl 2-[(2-aminoacetyl)amino]-4-pyrazol-1-ylbenzoate?
ethyl 2-[(2-aminoacetyl)amino]-4-pyrazol-1-ylbenzoate has a molecular weight of 288.31 g/mol, XLogP of 0.95, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-aminoacetyl)amino]-4-pyrazol-1-ylbenzoate is sourced from PubChem (CID 67747442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).